⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13695822 | 0.88 | THRB (0.31) | — | |
| SCHEMBL18272546 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL13813465 | 0.86 | — | — | |
| SCHEMBL20157217 | 0.85 | TSHR (0.34) | — | |
| SCHEMBL19074693 | 0.84 | TDP1 (0.31) | — | |
| SCHEMBL14317417 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL14401661 | 0.81 | — | — | |
| SCHEMBL16542046 | 0.80 | ADORA3 (0.31) | — | |
| SCHEMBL13379955 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL10061319 | 0.78 | PPARG (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8815350-B2 | Method for grafting a porous element for leucodepletion | MACO PHARMA SOCIETE ANONYME (FR) | 2014-08-26 | — | — | US | disclosed |